5-acetamido-2-(2-methylsulfanylethanoylamino)benzoic acid

Systemtic Name: 5-acetamido-2-(2-methylsulfanylethanoylamino)benzoic acid Openeye Name: 5-acetamido-2-[(2-methylsulfanylacetyl)amino]benzoic acid CAS Name: 5-acetamido-2-[[2-(methylthio)-1-oxoethyl]amino]benzoic acid IUPAC Name: 5-acetamido-2-[(2-methylsulfanylacetyl)amino]benzoic acid Traditional Name: 5-acetamido-2-[[2-(methylthio)acetyl]amino]benzoic acid Formula: C12H14N2O4S MolecularWeight: 282.31556

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)NC(=O)CSC)C(=O)O

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)NC(=O)CSC)C(=O)O

InChI

InChI=1S/C12H14N2O4S/c1-7(15)13-8-3-4-10(9(5-8)12(17)18)14-11(16)6-19-2/h3-5H,6H2,1-2H3,(H,13,15)(H,14,16)(H,17,18)